DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL233472_dpp4

Atoms: 288
Models: 9
Best Energy: -8.937 kcal/mol

Binding Energies:
  • Pose 1: -8.937 kcal/mol
  • Pose 2: -8.882 kcal/mol
  • Pose 3: -8.34 kcal/mol
  • Pose 4: -8.265 kcal/mol
  • Pose 5: -8.216 kcal/mol
  • Pose 6: -8.178 kcal/mol
  • Pose 7: -7.994 kcal/mol
  • Pose 8: -7.962 kcal/mol
  • Pose 9: -7.935 kcal/mol
CHEMBL233472_dpp4
Energy Plot
RMSD Scatter Plot